#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1b s VAL 2 N 0.00 0.31 -0.12 3.17 0.11 -1.26 -5.12 120.40 117.49 1r1b s VAL 2 Ca 0.00 -1.26 -0.03 0.00 -2.93 0.00 0.00 61.98 57.76 1r1b s VAL 2 Cb 0.00 -0.78 0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1r1b s VAL 2 CO 0.00 -0.62 0.06 -0.72 -3.33 0.00 0.00 175.10 170.49 1r1b s TYR 3 N -2.22 0.37 0.00 1.54 1.13 -1.26 -5.03 117.35 111.89 1r1b s TYR 3 Ca -0.06 -0.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 1r1b s TYR 3 Cb -0.04 -0.70 0.00 0.00 -1.10 0.00 0.00 41.96 40.11 1r1b s TYR 3 CO -0.03 -0.40 0.00 -0.25 -2.51 0.00 0.00 175.55 172.36 1r1b n ASP 4 N 5.22 0.00 -0.33 -0.18 8.00 -1.26 -2.83 116.55 125.18 1r1b n ASP 4 Ca -0.06 0.00 0.22 0.00 0.71 0.00 0.00 54.79 55.66 1r1b n ASP 4 Cb 0.49 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 42.00 1r1b n ASP 4 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r1b n LYS 5 N 0.00 -0.07 -0.04 -1.24 5.02 -1.26 0.49 118.16 121.05 1r1b n LYS 5 Ca 0.00 1.45 -0.09 0.00 -2.02 0.00 0.00 58.31 57.65 1r1b n LYS 5 Cb 0.00 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 32.57 1r1b n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1r1b h ILE 6 N 0.00 0.90 -0.13 -0.18 6.09 -1.86 -2.60 117.51 119.72 1r1b h ILE 6 Ca 0.70 -0.04 -0.11 0.00 -1.37 0.00 0.00 64.86 64.04 1r1b h ILE 6 Cb 1.65 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.72 1r1b h ILE 6 CO -0.87 0.02 -0.37 0.00 -3.07 0.00 0.00 178.15 173.86 1r1b h ALA 7 N 1.16 0.22 -0.27 0.18 0.00 0.06 -2.34 119.26 118.26 1r1b h ALA 7 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1r1b h ALA 7 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r1b h ALA 7 CO -0.13 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1r1b n ALA 8 N -2.51 0.00 0.44 0.00 0.00 0.18 -0.86 120.51 117.76 1r1b n ALA 8 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1r1b n ALA 8 Cb 0.52 0.39 0.19 0.00 0.00 0.00 0.00 19.45 20.56 1r1b n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1r1b h GLN 9 N 0.00 0.00 -0.08 0.00 -0.00 -1.64 -3.23 115.11 110.16 1r1b h GLN 9 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1r1b h GLN 9 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.43 1r1b h GLN 9 CO 0.00 0.00 -0.25 0.78 -0.00 0.00 0.00 178.83 179.36 1r1b h GLY 10 N 4.33 -0.32 2.00 0.06 0.00 -0.56 -1.03 103.07 107.55 1r1b h GLY 10 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 1r1b h GLY 10 CO 0.00 -0.20 -0.31 1.05 0.00 0.00 0.00 176.54 177.08 1r1b h GLU 11 N -0.35 0.00 -0.25 4.80 4.11 -1.08 -2.48 114.58 119.34 1r1b h GLU 11 Ca 0.08 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.58 1r1b h GLU 11 Cb 0.47 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1r1b h GLU 11 CO -0.28 0.31 -0.28 0.28 0.07 0.00 0.00 179.01 179.11 1r1b h VAL 12 N 0.00 0.32 -0.42 -1.06 2.07 -1.21 0.32 116.25 116.27 1r1b h VAL 12 Ca -0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1r1b h VAL 12 Cb 0.59 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1r1b h VAL 12 CO 0.04 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.89 1r1b h VAL 13 N -0.29 1.27 -0.87 2.57 2.07 -1.31 -1.10 116.25 118.59 1r1b h VAL 13 Ca 0.13 -1.49 0.12 0.00 0.82 0.00 0.00 66.70 66.28 1r1b h VAL 13 Cb 0.50 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 1r1b h VAL 13 CO -0.41 0.50 0.49 0.03 0.02 0.00 0.00 177.57 178.20 1r1b h ARG 14 N 0.78 0.75 -0.37 1.57 3.08 -0.86 0.29 114.38 119.62 1r1b h ARG 14 Ca 0.08 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1r1b h ARG 14 Cb 0.91 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1r1b h ARG 14 CO 0.08 0.50 -0.42 -0.22 -1.07 0.00 0.00 179.97 178.84 1r1b h LYS 15 N 0.77 0.94 0.81 0.04 3.64 -0.21 -2.10 116.57 120.45 1r1b h LYS 15 Ca 0.44 -0.51 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1r1b h LYS 15 Cb 0.49 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1r1b h LYS 15 CO -0.29 1.17 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.59 1r1b h LEU 16 N 0.75 -0.95 -1.98 5.20 4.07 0.33 0.13 115.31 122.87 1r1b h LEU 16 Ca 0.05 0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.09 1r1b h LEU 16 Cb 1.02 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 1r1b h LEU 16 CO 0.10 -0.67 0.11 0.07 -1.08 0.00 0.00 178.44 176.97 1r1b h LYS 17 N -1.09 0.03 -0.08 1.13 5.09 -0.59 0.40 116.57 121.45 1r1b h LYS 17 Ca -0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.61 1r1b h LYS 17 Cb 0.84 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 33.16 1r1b h LYS 17 CO 0.17 0.02 -0.03 0.00 -2.09 0.00 0.00 179.45 177.52 1r1b h ALA 18 N 1.92 0.12 -0.16 0.07 0.00 -0.84 -2.77 119.26 117.59 1r1b h ALA 18 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r1b h ALA 18 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r1b h ALA 18 CO -0.00 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.50 1r1b n GLU 19 N -4.77 1.41 -1.74 0.00 1.02 0.40 -4.95 120.64 112.01 1r1b n GLU 19 Ca -0.07 -0.64 -0.01 0.00 -0.02 0.00 0.00 57.16 56.42 1r1b n GLU 19 Cb 0.25 -1.18 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1r1b n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r1b n LYS 20 N -0.02 -1.18 -4.22 3.49 5.02 0.13 -5.03 118.16 116.36 1r1b n LYS 20 Ca 0.08 1.26 -0.21 0.00 -2.02 0.00 0.00 58.31 57.42 1r1b n LYS 20 Cb 0.16 -2.00 -0.07 0.00 -0.02 0.00 0.00 35.03 33.10 1r1b n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r1b n ALA 21 N 0.43 0.65 -1.78 7.82 0.00 -0.78 -4.86 120.51 122.00 1r1b n ALA 21 Ca -0.10 -1.93 -0.37 0.00 0.00 0.00 0.00 53.44 51.03 1r1b n ALA 21 Cb 0.16 1.48 -0.05 0.00 0.00 0.00 0.00 19.45 21.04 1r1b n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r1b s PRO 22 N -3.38 4.36 0.34 0.00 0.04 -1.26 -4.82 135.00 130.29 1r1b s PRO 22 Ca 0.33 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1r1b s PRO 22 Cb 0.02 -2.70 0.62 0.00 0.04 0.00 0.00 34.50 32.48 1r1b s PRO 22 CO 0.23 0.04 1.90 0.87 0.04 0.00 0.00 177.00 180.08 1r1b h LYS 23 N 2.86 0.55 -0.99 4.56 1.57 -2.01 -2.36 116.57 120.76 1r1b h LYS 23 Ca -0.48 -0.10 0.16 0.00 -1.87 0.00 0.00 60.65 58.37 1r1b h LYS 23 Cb 1.21 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.33 1r1b h LYS 23 CO 0.64 0.54 0.62 0.00 -0.57 0.00 0.00 179.45 180.67 1r1b h ALA 24 N 1.53 1.68 0.11 3.86 0.00 -1.99 0.11 119.26 124.56 1r1b h ALA 24 Ca 0.12 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1r1b h ALA 24 Cb 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1r1b h ALA 24 CO 0.00 0.01 -0.72 0.87 0.00 0.00 0.00 179.25 179.41 1r1b h LYS 25 N 0.81 0.29 -0.24 0.00 6.56 -1.84 -2.13 116.57 120.03 1r1b h LYS 25 Ca 0.53 -0.46 0.06 0.00 -1.06 0.00 0.00 60.65 59.72 1r1b h LYS 25 Cb 0.77 0.17 -0.06 0.00 -0.57 0.00 0.00 32.23 32.54 1r1b h LYS 25 CO -0.31 1.20 -0.14 0.28 -2.06 0.00 0.00 179.45 178.42 1r1b h VAL 26 N -0.38 0.58 -0.43 0.50 2.07 -0.96 -0.62 116.25 117.00 1r1b h VAL 26 Ca -0.12 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1r1b h VAL 26 Cb 1.55 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1r1b h VAL 26 CO 0.14 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.65 1r1b h THR 27 N -0.13 1.25 -0.51 2.57 1.03 -0.91 -0.89 112.91 115.31 1r1b h THR 27 Ca 0.13 -1.10 0.10 0.00 -0.01 0.00 0.00 66.41 65.53 1r1b h THR 27 Cb 0.32 1.00 -0.08 0.00 -1.07 0.00 0.00 68.15 68.32 1r1b h THR 27 CO -0.32 0.38 0.03 -0.33 -0.01 0.00 0.00 175.52 175.27 1r1b h GLU 28 N 0.69 0.14 -0.58 0.00 5.08 -0.53 0.78 114.58 120.15 1r1b h GLU 28 Ca 0.12 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1r1b h GLU 28 Cb 0.53 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1r1b h GLU 28 CO 0.03 0.09 0.11 0.00 -1.00 0.00 0.00 179.01 178.24 1r1b h ALA 29 N 1.45 0.77 -0.96 3.43 0.00 -0.75 -2.32 119.26 120.87 1r1b h ALA 29 Ca 0.26 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.18 1r1b h ALA 29 Cb 0.39 -0.22 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 1r1b h ALA 29 CO -0.41 0.51 0.51 0.28 0.00 0.00 0.00 179.25 180.14 1r1b h VAL 30 N 0.85 0.47 0.21 0.00 2.07 0.50 0.25 116.25 120.62 1r1b h VAL 30 Ca 0.18 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1r1b h VAL 30 Cb 0.39 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1r1b h VAL 30 CO 0.01 0.09 -0.10 -0.33 0.02 0.00 0.00 177.57 177.25 1r1b h GLU 31 N 0.47 -0.28 -0.51 1.57 5.08 -0.60 -2.06 114.58 118.25 1r1b h GLU 31 Ca 0.63 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 59.15 1r1b h GLU 31 Cb 1.24 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1r1b h GLU 31 CO -0.52 0.06 0.40 0.00 -1.00 0.00 0.00 179.01 177.95 1r1b h LEU 33 N 0.00 -0.13 -0.37 0.00 3.38 -0.27 0.43 115.31 118.35 1r1b h LEU 33 Ca 0.24 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1r1b h LEU 33 Cb 1.04 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1r1b h LEU 33 CO -0.00 0.25 -0.22 0.25 0.09 0.00 0.00 178.44 178.80 1r1b h LEU 34 N -0.52 0.84 0.34 1.67 6.46 -0.31 -1.48 115.31 122.31 1r1b h LEU 34 Ca -0.02 -0.42 -0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1r1b h LEU 34 Cb 0.42 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1r1b h LEU 34 CO 0.03 1.08 -0.17 0.28 -0.62 0.00 0.00 178.44 179.04 1r1b h SER 35 N 0.60 -0.39 -0.44 1.25 0.02 -0.01 -2.72 113.55 111.86 1r1b h SER 35 Ca 0.08 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1r1b h SER 35 Cb 0.78 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1r1b h SER 35 CO 0.06 0.04 0.24 0.25 -1.14 0.00 0.00 176.83 176.28 1r1b h LEU 36 N -0.92 0.38 -0.91 5.07 7.12 -0.21 -1.56 115.31 124.27 1r1b h LEU 36 Ca -0.05 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.07 1r1b h LEU 36 Cb 0.53 -0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 1r1b h LEU 36 CO 0.08 0.27 0.55 0.07 -0.13 0.00 0.00 178.44 179.28 1r1b h LYS 37 N 0.49 0.90 -0.94 1.25 2.10 -1.34 0.51 116.57 119.53 1r1b h LYS 37 Ca 0.18 -0.05 0.03 0.00 -2.00 0.00 0.00 60.65 58.81 1r1b h LYS 37 Cb 0.05 -0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 31.13 1r1b h LYS 37 CO -0.11 0.59 0.62 0.00 -2.00 0.00 0.00 179.45 178.56 1r1b h ALA 38 N 1.48 1.37 -0.40 0.07 0.00 -0.97 -0.97 119.26 119.83 1r1b h ALA 38 Ca 0.43 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 1r1b h ALA 38 Cb 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1r1b h ALA 38 CO -0.24 0.55 -0.29 0.93 0.00 0.00 0.00 179.25 180.21 1r1b h GLU 39 N 1.21 0.90 0.00 0.00 4.39 -0.14 -3.37 114.58 117.58 1r1b h GLU 39 Ca 0.36 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1r1b h GLU 39 Cb -0.05 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1r1b h GLU 39 CO -0.10 1.09 0.00 0.98 -1.16 0.00 0.00 179.01 179.82 1r1b n TYR 40 N -4.14 0.00 -3.46 4.33 9.36 0.15 -4.73 117.16 118.67 1r1b n TYR 40 Ca -0.02 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.02 1r1b n TYR 40 Cb 0.49 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.15 1r1b n TYR 40 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1r1b n LYS 41 N -0.06 -0.95 0.00 2.98 4.81 -0.74 -4.83 118.16 119.38 1r1b n LYS 41 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1r1b n LYS 41 Cb 0.00 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1r1b n LYS 41 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1r1b n GLU 42 N -2.91 0.00 -2.10 1.64 1.02 -1.26 -4.81 120.64 112.22 1r1b n GLU 42 Ca -0.14 0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 1r1b n GLU 42 Cb 0.37 -0.95 0.05 0.00 -0.02 0.00 0.00 31.44 30.89 1r1b n GLU 42 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1r1b n LYS 43 N -1.49 0.58 0.03 3.49 2.85 -1.26 -4.97 118.16 117.39 1r1b n LYS 43 Ca 0.00 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 1r1b n LYS 43 Cb 0.00 0.16 0.00 0.00 -0.65 0.00 0.00 35.03 34.54 1r1b n LYS 43 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1r1b n THR 44 N -0.66 0.06 -0.04 0.58 -1.04 -1.26 -4.97 114.28 106.95 1r1b n THR 44 Ca -0.09 0.02 -0.01 0.00 -2.04 0.00 0.00 64.05 61.92 1r1b n THR 44 Cb 0.67 -0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 68.74 1r1b n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r1b n GLY 45 N 1.97 -0.63 2.38 3.41 0.00 -1.26 -5.08 105.19 105.98 1r1b n GLY 45 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1r1b n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r1b n LYS 46 N -2.29 -4.23 -3.25 1.61 4.76 -1.26 -4.50 118.16 109.01 1r1b n LYS 46 Ca -0.14 3.20 -0.14 0.00 -2.87 0.00 0.00 58.31 58.37 1r1b n LYS 46 Cb 0.71 -4.49 0.06 0.00 -1.84 0.00 0.00 35.03 29.47 1r1b n LYS 46 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1r1b n GLU 47 N 1.54 -2.07 -1.28 1.97 1.02 -1.16 -4.82 120.64 115.83 1r1b n GLU 47 Ca -0.27 0.93 -0.42 0.00 -0.02 0.00 0.00 57.16 57.39 1r1b n GLU 47 Cb 0.42 -5.73 -0.01 0.00 -0.02 0.00 0.00 31.44 26.10 1r1b n GLU 47 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1r1b n TYR 48 N -3.08 -1.87 -3.43 -0.32 4.19 -1.23 -4.81 117.16 106.60 1r1b n TYR 48 Ca -0.06 0.65 -0.44 0.00 3.31 0.00 0.00 57.90 61.36 1r1b n TYR 48 Cb 0.60 -1.76 -0.08 0.00 0.49 0.00 0.00 39.34 38.60 1r1b n TYR 48 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1r1b s VAL 49 N -1.56 4.91 -0.05 2.97 1.01 -1.26 -4.73 120.40 121.69 1r1b s VAL 49 Ca 0.58 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1r1b s VAL 49 Cb -0.66 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 31.69 1r1b s VAL 49 CO 0.61 -0.65 0.05 1.55 0.00 0.00 0.00 175.10 176.65 1r1b h PRO 50 N 8.68 -0.03 0.00 2.72 0.13 -1.91 -3.50 132.00 138.10 1r1b h PRO 50 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1r1b h PRO 50 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1r1b h PRO 50 CO 0.89 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 1r1b n GLY 51 N 1.76 -0.03 0.00 1.56 0.00 -1.26 -5.03 105.19 102.18 1r1b n GLY 51 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r1b n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r1b n LEU 52 N -2.02 0.91 -3.42 0.99 4.77 -1.26 -4.82 117.00 112.14 1r1b n LEU 52 Ca 0.00 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 1r1b n LEU 52 Cb 0.00 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1r1b n LEU 52 CO 0.00 -0.19 0.01 1.21 -1.33 0.00 0.00 177.39 177.08 1r1b n GLU 53 N -1.49 -4.29 -1.87 3.23 2.13 -1.26 -1.84 120.64 115.26 1r1b n GLU 53 Ca 0.00 0.61 -0.00 0.00 0.66 0.00 0.00 57.16 58.43 1r1b n GLU 53 Cb 0.00 -5.40 0.00 0.00 0.27 0.00 0.00 31.44 26.31 1r1b n GLU 53 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1r1b n HIS 54 N -4.27 -0.03 -2.73 4.31 -0.00 -1.25 -4.79 115.22 106.46 1r1b n HIS 54 Ca -0.02 0.01 -0.40 0.00 -0.00 0.00 0.00 57.72 57.31 1r1b n HIS 54 Cb 0.56 -2.19 -0.05 0.00 -0.00 0.00 0.00 29.99 28.30 1r1b n HIS 54 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r1b s HIS 55 N -3.01 3.90 -2.79 1.57 2.46 -0.77 -5.17 115.29 111.49 1r1b s HIS 55 Ca 0.00 1.86 0.22 0.00 0.47 0.00 0.00 55.06 57.62 1r1b s HIS 55 Cb -0.00 -3.03 0.18 0.00 -0.13 0.00 0.00 32.58 29.60 1r1b s HIS 55 CO 0.01 0.31 1.21 0.72 -2.47 0.00 0.00 174.74 174.51